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. Author manuscript; available in PMC: 2024 Jun 24.
Published in final edited form as: Eur J Inorg Chem. 2019;2019(8):10.1002/ejic.201900142. doi: 10.1002/ejic.201900142

Figure 4.

Figure 4.

Spin-Hamiltonian simulation of the powder distribution of the INS transitions within the lowest Kramers doublet of the S=3/2 system, arising from angular dependence of the Zeeman splitting for a field of 2 T at 1.7 K. Transition probabilities were obtained from the expression for Q  =0Å1 given in Equation 2 (red line). The simulation is obtained with the parameters from the previous EPR and SQUID[7] analyses of 1 without any further fitting (Table 2, Gaussian lines, FWHM = 1 cm−1). The black marks indicate the transitions with the field oriented along the principal axes of the effective spin g-matrix, as obtained by EPR for the ground-state Kramers doublet (KD1)[7] and reproduced by the spin-Hamiltonian.